CID 117525

Brn 3057310

Structural Information

Molecular Formula
C12H25N3O4
SMILES
CCC(CN(CC)CC)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C12H25N3O4/c1-4-12(8-18-10(13)16,9-19-11(14)17)7-15(5-2)6-3/h4-9H2,1-3H3,(H2,13,16)(H2,14,17)
InChIKey
ACJHFLOITZTLEZ-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-(diethylaminomethyl)butyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1845 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19178 166.9
[M+Na]+ 298.17372 169.6
[M-H]- 274.17722 166.7
[M+NH4]+ 293.21832 182.0
[M+K]+ 314.14766 170.9
[M+H-H2O]+ 258.18176 159.9
[M+HCOO]- 320.18270 188.8
[M+CH3COO]- 334.19835 209.5
[M+Na-2H]- 296.15917 167.2
[M]+ 275.18395 169.4
[M]- 275.18505 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.